In-Silico Structure Database (LMISSD)
Common Name
PS(P-22:1(11Z)/16:1(9Z))
Systematic Name
1-(1Z,11Z-docosenyl)-2-(9Z-hexadecenoyl)-sn-glycero-3-phosphoserine
LM ID
LMGP03039AXM
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
799.572722
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerophospholipids [GP]
Glycerophosphoserines [GP03]
1-(1Z-alkenyl),2-acylglycerophosphoserines [GP0303]
String Representations
InChiKey (Click to copy)
ZKRIPBWIZFHCST-JSQFLEMTSA-N
InChi (Click to copy)
InChI=1S/C44H82NO9P/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-25-27-29-31-33-35-37-51-38-41(39-52-55(49,50)53-40-42(45)44(47)48)54-43(46)36-34-32-30-28-26-24-16-14-12-10-8-6-4-2/h14,16,19-20,35,37,41-42H,3-13,15,17-18,21-34,36,38-40,45H2,1-2H3,(H,47,48)(H,49,50)/b16-14-,20-19-,37-35-/t41-,42+/m1/s1
SMILES (Click to copy)
C(O)(=O)[C@@]([H])(N)COP(OC[C@]([H])(OC(CCCCCCC/C=C\CCCCCC)=O)CO/C=C\CCCCCCCC/C=C\CCCCCCCCCC)(=O)O